methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate

C13H11N3O3 — CID 118482054

IUPACmethyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)c1ccnn1C2
InChIInChI=1S/C13H11N3O3/c1-19-13(18)8-2-3-9-7-16-11(4-5-14-16)12(17)15-10(9)6-8/h2-6H,7H2,1H3,(H,15,17)
InChIKeyWBWBYOVPIODXDV-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.28
Rot. Bonds1

About methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate

methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate (PubChem CID 118482054) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate
PubChem CID118482054
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Namemethyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)c1ccnn1C2
InChIInChI=1S/C13H11N3O3/c1-19-13(18)8-2-3-9-7-16-11(4-5-14-16)12(17)15-10(9)6-8/h2-6H,7H2,1H3,(H,15,17)
InChIKeyWBWBYOVPIODXDV-UHFFFAOYSA-N
XLogP1.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,10,10-trioxo-5H-pyrrolo[1,2-b][1,2,5]benzothiadiazepine-7-carboxylate
CID 154613142
dimethyl 2,2'-dioxo-3,3'-spirobi[1,4-dihydroquinoline]-6',7-dicarboxylate
CID 122207365
methyl 3-[1-[2-(4-amino-3,5-dibromobenzoyl)cyclopropanecarbonyl]piperidin-4-yl]-2-oxo-1,4-dihydroquinazoline-7-carboxylate
CID 69310782
methyl 3-methylidene-2-oxo-1H-indole-5-carboxylate
CID 59474018
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 91608162
methyl 3-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-7-carboxylate
CID 115098831
methyl 3-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxylate
CID 115098763
methyl 1-methyl-2-oxo-3,4-dihydroquinazoline-6-carboxylate
CID 156503281
methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate
CID 177164736
methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate
CID 138742539
methyl (3Z)-3-[(4-fluorophenyl)-methoxymethylidene]-2-oxo-1H-indole-6-carboxylate
CID 90209622

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate?
The IUPAC name of methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate (CID 118482054) is methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate.
What is the SMILES notation for methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate?
The canonical SMILES for methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)c1ccnn1C2.
What is the InChIKey of methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate?
The InChIKey is WBWBYOVPIODXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-13(18)8-2-3-9-7-16-11(4-5-14-16)12(17)15-10(9)6-8/h2-6H,7H2,1H3,(H,15,17).
What are the key properties of methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate?
methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-5,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-7-carboxylate is sourced from PubChem (CID 118482054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).